N-[[2-(dimethylaminomethyl)phenyl]methyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide

Systemtic Name: N-[[2-(dimethylaminomethyl)phenyl]methyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Openeye Name: N-[[2-(dimethylaminomethyl)phenyl]methyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: N-[[2-(dimethylaminomethyl)phenyl]methyl]-4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-[[2-(dimethylaminomethyl)phenyl]methyl]-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-[2-(dimethylaminomethyl)benzyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Formula: C23H27N5O3 MolecularWeight: 421.49218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3CN(C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3CN(C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H27N5O3/c1-16-22(28(30)31)17(2)27(25-16)14-18-9-11-19(12-10-18)23(29)24-13-20-7-5-6-8-21(20)15-26(3)4/h5-12H,13-15H2,1-4H3,(H,24,29)